5E5Q
Racemic snakin-1 in P21/c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 1 21/c 1 |
| Unit cell lengths | 65.149, 27.744, 73.347 |
| Unit cell angles | 90.00, 100.19, 90.00 |
Refinement procedure
| Resolution | 34.142 - 1.600 |
| R-factor | 0.2376 |
| Rwork | 0.235 |
| R-free | 0.28340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In house |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.881 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.142 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 33736 | |
| <I/σ(I)> | 10.5 | 1.5 |
| Completeness [%] | 97.7 | 95.1 |
| Redundancy | 5.8 | 6 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.2 M dibasic sodium phosphate |
